2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide

C14H21N3O2 — CID 143724013

IUPAC2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(Nc1ccc(CNC=O)cc1)C(C)C
InChIInChI=1S/C14H21N3O2/c1-10(2)13(14(19)15-3)17-12-6-4-11(5-7-12)8-16-9-18/h4-7,9-10,13,17H,8H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyKMYQXCIAUYINMV-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.12
Rot. Bonds7

About 2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide

2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide (PubChem CID 143724013) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide
PubChem CID143724013
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(Nc1ccc(CNC=O)cc1)C(C)C
InChIInChI=1S/C14H21N3O2/c1-10(2)13(14(19)15-3)17-12-6-4-11(5-7-12)8-16-9-18/h4-7,9-10,13,17H,8H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyKMYQXCIAUYINMV-UHFFFAOYSA-N
XLogP1.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]formamide
CID 58613645
ethyl 2-[2-fluoro-4-(formamidomethyl)anilino]-3-methylbutanoate
CID 143723971
ethyl 2-[4-(formamidomethyl)anilino]-2-methylpropanoate
CID 143723978
(2R)-2-(chloroamino)-N,3-dimethylbutanamide
CID 88902514
N-benzylformamide
CID 139060556
3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
CID 162518867
(2S,3S)-2-[[(2S)-2-anilino-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 141408617
N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide
CID 115868089
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide
CID 143561250
N-[(4-methylsulfinylphenyl)methyl]formamide
CID 144669609
N-[(4-methylsulfonylphenyl)methyl]formamide
CID 64992052

Frequently Asked Questions

What is the IUPAC name of 2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide?
The IUPAC name of 2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide (CID 143724013) is 2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide?
The canonical SMILES for 2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide is CNC(=O)C(Nc1ccc(CNC=O)cc1)C(C)C.
What is the InChIKey of 2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide?
The InChIKey is KMYQXCIAUYINMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)13(14(19)15-3)17-12-6-4-11(5-7-12)8-16-9-18/h4-7,9-10,13,17H,8H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of 2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide?
2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(formamidomethyl)anilino]-N,3-dimethylbutanamide is sourced from PubChem (CID 143724013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).