N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide

C30H42N4O2 — CID 42777797

IUPACN-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)C(C)CC
InChIInChI=1S/C30H42N4O2/c1-6-8-13-29(35)34(23(3)7-2)22-30(36)33(21-24-14-16-26(17-15-24)32(4)5)19-18-25-20-31-28-12-10-9-11-27(25)28/h9-12,14-17,20,23,31H,6-8,13,18-19,21-22H2,1-5H3
InChIKeyOYCZPHMQLMEEMD-UHFFFAOYSA-N
MW490.69 g/mol
LogP5.62
Rot. Bonds13

About N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide

N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide (PubChem CID 42777797) has the molecular formula C30H42N4O2 and a molecular weight of 490.69 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide
PubChem CID42777797
Molecular FormulaC30H42N4O2
Molecular Weight490.69 g/mol
Exact Mass490.33
IUPAC NameN-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide
SMILESCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)C(C)CC
InChIInChI=1S/C30H42N4O2/c1-6-8-13-29(35)34(23(3)7-2)22-30(36)33(21-24-14-16-26(17-15-24)32(4)5)19-18-25-20-31-28-12-10-9-11-27(25)28/h9-12,14-17,20,23,31H,6-8,13,18-19,21-22H2,1-5H3
InChIKeyOYCZPHMQLMEEMD-UHFFFAOYSA-N
XLogP5.62
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.69
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-butyl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 42777836
N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 5041200
N-butyl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]butanamide
CID 42772355
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
CID 4620268
N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 42777837
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 4055356
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 4149156
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propan-2-ylnonanamide
CID 42772477
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide
CID 3293601
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,3-dimethyl-N-propan-2-ylbutanamide
CID 42772340
N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2,4-dimethoxybenzamide
CID 42777830

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide?
The IUPAC name of N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide (CID 42777797) is N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide.
What is the SMILES notation for N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide?
The canonical SMILES for N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide is CCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide?
The InChIKey is OYCZPHMQLMEEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O2/c1-6-8-13-29(35)34(23(3)7-2)22-30(36)33(21-24-14-16-26(17-15-24)32(4)5)19-18-25-20-31-28-12-10-9-11-27(25)28/h9-12,14-17,20,23,31H,6-8,13,18-19,21-22H2,1-5H3.
What are the key properties of N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide?
N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide has a molecular weight of 490.69 g/mol, XLogP of 5.62, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide is sourced from PubChem (CID 42777797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).