N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide

C32H57N3O2 — CID 42699290

IUPACN-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCC(=O)NC(C)CCCN(CC)CC)C(C)c1ccccc1
InChIInChI=1S/C32H57N3O2/c1-6-9-10-11-12-13-14-15-19-24-32(37)35(29(5)30-22-17-16-18-23-30)27-25-31(36)33-28(4)21-20-26-34(7-2)8-3/h16-18,22-23,28-29H,6-15,19-21,24-27H2,1-5H3,(H,33,36)
InChIKeyUQQAZDFPOXOYGI-UHFFFAOYSA-N
MW515.83 g/mol
LogP7.51
Rot. Bonds22

About N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide

N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide (PubChem CID 42699290) has the molecular formula C32H57N3O2 and a molecular weight of 515.83 g/mol. Its IUPAC name is N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide.

Molecular Properties

Compound NameN-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide
PubChem CID42699290
Molecular FormulaC32H57N3O2
Molecular Weight515.83 g/mol
Exact Mass515.45
IUPAC NameN-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCC(=O)NC(C)CCCN(CC)CC)C(C)c1ccccc1
InChIInChI=1S/C32H57N3O2/c1-6-9-10-11-12-13-14-15-19-24-32(37)35(29(5)30-22-17-16-18-23-30)27-25-31(36)33-28(4)21-20-26-34(7-2)8-3/h16-18,22-23,28-29H,6-15,19-21,24-27H2,1-5H3,(H,33,36)
InChIKeyUQQAZDFPOXOYGI-UHFFFAOYSA-N
XLogP7.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.83
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide
CID 42696067
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)nonanamide
CID 4310878
N-[(2S)-6-amino-1-[[3-[[(2S)-6-amino-1-[[3-[[(2S)-6-amino-1-[[3-[[(2S)-6-amino-1-[[3-[[(2S)-6-amino-1-[[3-[[(2S)-6-amino-1-[(3-amino-3-oxopropyl)-[(1S)-1-phenylethyl]amino]-1-oxohexan-2-yl]amino]-3-oxopropyl]-[(1S)-1-phenylethyl]amino]-1-oxohexan-2-yl]amino]-3-oxopropyl]-[(1S)-1-phenylethyl]amino]-1-oxohexan-2-yl]amino]-3-oxopropyl]-[(1S)-1-phenylethyl]amino]-1-oxohexan-2-yl]amino]-3-oxopropyl]-[(1S)-1-phenylethyl]amino]-1-oxohexan-2-yl]amino]-3-oxopropyl]-[(1S)-1-phenylethyl]amino]-1-oxohexan-2-yl]hexadecanamide
CID 122180581
6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
CID 114014573
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-[5-(diethylamino)pentan-2-yl]-2-(2-hydroxyphenyl)acetamide
CID 78916581

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide?
The IUPAC name of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide (CID 42699290) is N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide.
What is the SMILES notation for N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide?
The canonical SMILES for N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide is CCCCCCCCCCCC(=O)N(CCC(=O)NC(C)CCCN(CC)CC)C(C)c1ccccc1.
What is the InChIKey of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide?
The InChIKey is UQQAZDFPOXOYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57N3O2/c1-6-9-10-11-12-13-14-15-19-24-32(37)35(29(5)30-22-17-16-18-23-30)27-25-31(36)33-28(4)21-20-26-34(7-2)8-3/h16-18,22-23,28-29H,6-15,19-21,24-27H2,1-5H3,(H,33,36).
What are the key properties of N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide?
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide has a molecular weight of 515.83 g/mol, XLogP of 7.51, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide is sourced from PubChem (CID 42699290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).