N-[4-[formyl(methoxy)amino]butyl]formamide

C7H14N2O3 — CID 87925198

IUPACN-[4-[formyl(methoxy)amino]butyl]formamide
SMILESCON(C=O)CCCCNC=O
InChIInChI=1S/C7H14N2O3/c1-12-9(7-11)5-3-2-4-8-6-10/h6-7H,2-5H2,1H3,(H,8,10)
InChIKeyVDRWMUJIBLKSQP-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.47
Rot. Bonds8

About N-[4-[formyl(methoxy)amino]butyl]formamide

N-[4-[formyl(methoxy)amino]butyl]formamide (PubChem CID 87925198) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is N-[4-[formyl(methoxy)amino]butyl]formamide.

Molecular Properties

Compound NameN-[4-[formyl(methoxy)amino]butyl]formamide
PubChem CID87925198
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC NameN-[4-[formyl(methoxy)amino]butyl]formamide
SMILESCON(C=O)CCCCNC=O
InChIInChI=1S/C7H14N2O3/c1-12-9(7-11)5-3-2-4-8-6-10/h6-7H,2-5H2,1H3,(H,8,10)
InChIKeyVDRWMUJIBLKSQP-UHFFFAOYSA-N
XLogP-0.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998
ethane;N-pentylformamide
CID 145350301
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
N-[2-[hexyl(methyl)amino]ethyl]formamide
CID 54347817
N-(3-trimethoxysilylpropyl)formamide
CID 14388644
N-(3,3-didecoxypropyl)formamide
CID 57283019
N-[(Z)-5-methoxypent-4-enyl]formamide
CID 55299342
N-[3-(methylamino)propyl]formamide
CID 54313593
N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
CID 156795114
2-methoxyethyl N,N-bis(2-formamidoethyl)carbamate
CID 89335039
3-formamidopropyl dimethyl phosphate
CID 143134833

Frequently Asked Questions

What is the IUPAC name of N-[4-[formyl(methoxy)amino]butyl]formamide?
The IUPAC name of N-[4-[formyl(methoxy)amino]butyl]formamide (CID 87925198) is N-[4-[formyl(methoxy)amino]butyl]formamide.
What is the SMILES notation for N-[4-[formyl(methoxy)amino]butyl]formamide?
The canonical SMILES for N-[4-[formyl(methoxy)amino]butyl]formamide is CON(C=O)CCCCNC=O.
What is the InChIKey of N-[4-[formyl(methoxy)amino]butyl]formamide?
The InChIKey is VDRWMUJIBLKSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-12-9(7-11)5-3-2-4-8-6-10/h6-7H,2-5H2,1H3,(H,8,10).
What are the key properties of N-[4-[formyl(methoxy)amino]butyl]formamide?
N-[4-[formyl(methoxy)amino]butyl]formamide has a molecular weight of 174.20 g/mol, XLogP of -0.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[formyl(methoxy)amino]butyl]formamide is sourced from PubChem (CID 87925198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).