N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide

C17H22N2O3 — CID 56709335

IUPACN-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C17H22N2O3/c1-11-7-17(21)22-15-9-13(5-6-14(11)15)10-19(4)12(2)8-16(20)18-3/h5-7,9,12H,8,10H2,1-4H3,(H,18,20)
InChIKeyDEQPFGGBRKOMNX-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide

N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide (PubChem CID 56709335) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide
PubChem CID56709335
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide
SMILESCNC(=O)CC(C)N(C)Cc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C17H22N2O3/c1-11-7-17(21)22-15-9-13(5-6-14(11)15)10-19(4)12(2)8-16(20)18-3/h5-7,9,12H,8,10H2,1-4H3,(H,18,20)
InChIKeyDEQPFGGBRKOMNX-UHFFFAOYSA-N
XLogP2.06
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethyl-4-methylchromen-2-one
CID 5160585
(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide
CID 50970573
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497
(3S)-N-methyl-3-[methyl-[(5-methylnaphthalen-1-yl)methyl]amino]butanamide
CID 99936419
7-(4,4-dihydroxybutyl)-4-methylchromen-2-one
CID 156779613
4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one
CID 56722047
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
CID 134132292
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
(5S)-5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 95201148
5-[[(4-methyl-2-oxochromen-7-yl)methyl-propan-2-ylamino]methyl]pyrrolidin-2-one
CID 56712639

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide?
The IUPAC name of N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide (CID 56709335) is N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide.
What is the SMILES notation for N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide?
The canonical SMILES for N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide is CNC(=O)CC(C)N(C)Cc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide?
The InChIKey is DEQPFGGBRKOMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-7-17(21)22-15-9-13(5-6-14(11)15)10-19(4)12(2)8-16(20)18-3/h5-7,9,12H,8,10H2,1-4H3,(H,18,20).
What are the key properties of N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide?
N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide has a molecular weight of 302.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide is sourced from PubChem (CID 56709335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).