N-[4-(prop-1-en-2-ylamino)butyl]acetamide

C9H18N2O — CID 88972536

IUPACN-[4-(prop-1-en-2-ylamino)butyl]acetamide
SMILESC=C(C)NCCCCNC(C)=O
InChIInChI=1S/C9H18N2O/c1-8(2)10-6-4-5-7-11-9(3)12/h10H,1,4-7H2,2-3H3,(H,11,12)
InChIKeyXSOCUKMTSJLQGI-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.03
Rot. Bonds6

About N-[4-(prop-1-en-2-ylamino)butyl]acetamide

N-[4-(prop-1-en-2-ylamino)butyl]acetamide (PubChem CID 88972536) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[4-(prop-1-en-2-ylamino)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(prop-1-en-2-ylamino)butyl]acetamide
PubChem CID88972536
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[4-(prop-1-en-2-ylamino)butyl]acetamide
SMILESC=C(C)NCCCCNC(C)=O
InChIInChI=1S/C9H18N2O/c1-8(2)10-6-4-5-7-11-9(3)12/h10H,1,4-7H2,2-3H3,(H,11,12)
InChIKeyXSOCUKMTSJLQGI-UHFFFAOYSA-N
XLogP1.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-1-en-2-ylamino)butyl]acetamide?
The IUPAC name of N-[4-(prop-1-en-2-ylamino)butyl]acetamide (CID 88972536) is N-[4-(prop-1-en-2-ylamino)butyl]acetamide.
What is the SMILES notation for N-[4-(prop-1-en-2-ylamino)butyl]acetamide?
The canonical SMILES for N-[4-(prop-1-en-2-ylamino)butyl]acetamide is C=C(C)NCCCCNC(C)=O.
What is the InChIKey of N-[4-(prop-1-en-2-ylamino)butyl]acetamide?
The InChIKey is XSOCUKMTSJLQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)10-6-4-5-7-11-9(3)12/h10H,1,4-7H2,2-3H3,(H,11,12).
What are the key properties of N-[4-(prop-1-en-2-ylamino)butyl]acetamide?
N-[4-(prop-1-en-2-ylamino)butyl]acetamide has a molecular weight of 170.26 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-1-en-2-ylamino)butyl]acetamide is sourced from PubChem (CID 88972536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).