3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide

C16H23N3O3 — CID 174969455

IUPAC3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCC1CC1)N(C=O)c1cccc(CN)c1
InChIInChI=1S/C16H23N3O3/c1-11(15(21)16(22)18-9-12-5-6-12)19(10-20)14-4-2-3-13(7-14)8-17/h2-4,7,10-12,15,21H,5-6,8-9,17H2,1H3,(H,18,22)
InChIKeyMPPJDVXNYLVJFA-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.38
Rot. Bonds8

About 3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide

3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide (PubChem CID 174969455) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide
PubChem CID174969455
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCC1CC1)N(C=O)c1cccc(CN)c1
InChIInChI=1S/C16H23N3O3/c1-11(15(21)16(22)18-9-12-5-6-12)19(10-20)14-4-2-3-13(7-14)8-17/h2-4,7,10-12,15,21H,5-6,8-9,17H2,1H3,(H,18,22)
InChIKeyMPPJDVXNYLVJFA-UHFFFAOYSA-N
XLogP0.38
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-oxobutanamide
CID 175329654
N-(cyclopropylmethyl)-3-(N-formylanilino)-2-hydroxybutanamide
CID 134349732
N-(cyclopropylmethyl)-3-(N-formyl-3-methylanilino)-2-oxobutanamide
CID 134349743
N-[(3-chlorophenyl)methyl]-3-(N-formylanilino)-2-hydroxybutanamide
CID 134349858
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
2-[3-(aminomethyl)-N-methylanilino]-N-(2-methylpropyl)propanamide
CID 62970312
N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
CID 79155347
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
methyl 4-[[[4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
CID 68786677
3-[3-(aminomethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106914482
4-[[[(2R,3R)-4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 25003957

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide?
The IUPAC name of 3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide (CID 174969455) is 3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide.
What is the SMILES notation for 3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide?
The canonical SMILES for 3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide is CC(C(O)C(=O)NCC1CC1)N(C=O)c1cccc(CN)c1.
What is the InChIKey of 3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide?
The InChIKey is MPPJDVXNYLVJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(15(21)16(22)18-9-12-5-6-12)19(10-20)14-4-2-3-13(7-14)8-17/h2-4,7,10-12,15,21H,5-6,8-9,17H2,1H3,(H,18,22).
What are the key properties of 3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide?
3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide has a molecular weight of 305.38 g/mol, XLogP of 0.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-N-formylanilino]-N-(cyclopropylmethyl)-2-hydroxybutanamide is sourced from PubChem (CID 174969455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).