N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid

C18H26N2O4 — CID 144855446

IUPACN,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid
SMILESCCCC/C=C\c1cccc(C(=O)NCC(=O)O)c1.CN(C)C=O
InChIInChI=1S/C15H19NO3.C3H7NO/c1-2-3-4-5-7-12-8-6-9-13(10-12)15(19)16-11-14(17)18;1-4(2)3-5/h5-10H,2-4,11H2,1H3,(H,16,19)(H,17,18);3H,1-2H3/b7-5-;
InChIKeyKBSFZHYZNVPQJL-YJOCEBFMSA-N
MW334.42 g/mol
LogP2.41
Rot. Bonds8

About N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid

N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid (PubChem CID 144855446) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid.

Molecular Properties

Compound NameN,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid
PubChem CID144855446
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid
SMILESCCCC/C=C\c1cccc(C(=O)NCC(=O)O)c1.CN(C)C=O
InChIInChI=1S/C15H19NO3.C3H7NO/c1-2-3-4-5-7-12-8-6-9-13(10-12)15(19)16-11-14(17)18;1-4(2)3-5/h5-10H,2-4,11H2,1H3,(H,16,19)(H,17,18);3H,1-2H3/b7-5-;
InChIKeyKBSFZHYZNVPQJL-YJOCEBFMSA-N
XLogP2.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid 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

2-[[3-[(Z)-5-[acetyl(methyl)amino]pent-1-enyl]benzoyl]amino]acetic acid
CID 138465537
2-[[3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]benzoyl]amino]acetic acid
CID 118144306
N-(hydroxymethyl)-3-tridec-1-enylbenzamide
CID 57068829
3-[(E)-dec-1-enyl]benzoic acid
CID 14233876
1-[3-[(E)-hex-1-enyl]phenyl]ethanone
CID 10512317
2-[[3-[(E)-2-sulfanylethenyl]benzoyl]amino]acetic acid
CID 167457740
methyl 3-[(E)-hept-1-enyl]benzoate
CID 11148980
3-[(Z)-6-(dimethylamino)-6-oxohex-1-enyl]-N-(2-oxoethyl)benzamide
CID 145136932
3-(3-hex-1-enylphenyl)prop-2-enoic acid
CID 57256540
3-[(E)-2-phenylethenyl]-N-propylbenzamide
CID 67215100
N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide
CID 138465508
3-[(E)-hex-1-enyl]phenol
CID 121007177

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid?
The IUPAC name of N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid (CID 144855446) is N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid.
What is the SMILES notation for N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid?
The canonical SMILES for N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid is CCCC/C=C\c1cccc(C(=O)NCC(=O)O)c1.CN(C)C=O.
What is the InChIKey of N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid?
The InChIKey is KBSFZHYZNVPQJL-YJOCEBFMSA-N. The full InChI is InChI=1S/C15H19NO3.C3H7NO/c1-2-3-4-5-7-12-8-6-9-13(10-12)15(19)16-11-14(17)18;1-4(2)3-5/h5-10H,2-4,11H2,1H3,(H,16,19)(H,17,18);3H,1-2H3/b7-5-;.
What are the key properties of N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid?
N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid has a molecular weight of 334.42 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;2-[[3-[(Z)-hex-1-enyl]benzoyl]amino]acetic acid is sourced from PubChem (CID 144855446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).