N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide

C19H26N2O3 — CID 30343078

IUPACN,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide
SMILESCC(C)CCC(=O)N(C)CCCNc1cc(=O)oc2ccccc12
InChIInChI=1S/C19H26N2O3/c1-14(2)9-10-18(22)21(3)12-6-11-20-16-13-19(23)24-17-8-5-4-7-15(16)17/h4-5,7-8,13-14,20H,6,9-12H2,1-3H3
InChIKeyGUOJZXMXKVEDNX-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.49
Rot. Bonds8

About N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide

N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide (PubChem CID 30343078) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide
PubChem CID30343078
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide
SMILESCC(C)CCC(=O)N(C)CCCNc1cc(=O)oc2ccccc12
InChIInChI=1S/C19H26N2O3/c1-14(2)9-10-18(22)21(3)12-6-11-20-16-13-19(23)24-17-8-5-4-7-15(16)17/h4-5,7-8,13-14,20H,6,9-12H2,1-3H3
InChIKeyGUOJZXMXKVEDNX-UHFFFAOYSA-N
XLogP3.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343075
N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]-4-propan-2-ylbenzamide
CID 30342817
2-(2,4-dichlorophenoxy)-N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30342976
N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343425
4-(2-aminoethylamino)chromen-2-one
CID 119085544
N-[2-amino-3-[(2-oxochromen-4-yl)amino]propyl]-N-methylthiophene-2-carboxamide
CID 138461060
N-benzyl-2-methoxy-3-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]benzamide
CID 30343461
N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343292
N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343311
4-(tert-butylamino)chromen-2-one
CID 101435366
N-benzyl-2-chloro-4-nitro-N-[3-[(2-oxochromen-4-yl)amino]propyl]benzamide
CID 30343232
6-methylheptan-2-yl 2-oxochromene-4-carboxylate
CID 139372422

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide?
The IUPAC name of N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide (CID 30343078) is N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide.
What is the SMILES notation for N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide?
The canonical SMILES for N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide is CC(C)CCC(=O)N(C)CCCNc1cc(=O)oc2ccccc12.
What is the InChIKey of N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide?
The InChIKey is GUOJZXMXKVEDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(2)9-10-18(22)21(3)12-6-11-20-16-13-19(23)24-17-8-5-4-7-15(16)17/h4-5,7-8,13-14,20H,6,9-12H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide?
N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide has a molecular weight of 330.43 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]pentanamide is sourced from PubChem (CID 30343078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).