2-cyclopropyl-N-(3-hydroxypropyl)propanamide

C9H17NO2 — CID 81449535

IUPAC2-cyclopropyl-N-(3-hydroxypropyl)propanamide
SMILESCC(C(=O)NCCCO)C1CC1
InChIInChI=1S/C9H17NO2/c1-7(8-3-4-8)9(12)10-5-2-6-11/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyKKWZVNADBINMFC-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.53
Rot. Bonds5

About 2-cyclopropyl-N-(3-hydroxypropyl)propanamide

2-cyclopropyl-N-(3-hydroxypropyl)propanamide (PubChem CID 81449535) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-hydroxypropyl)propanamide
PubChem CID81449535
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-cyclopropyl-N-(3-hydroxypropyl)propanamide
SMILESCC(C(=O)NCCCO)C1CC1
InChIInChI=1S/C9H17NO2/c1-7(8-3-4-8)9(12)10-5-2-6-11/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyKKWZVNADBINMFC-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.53
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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Related Compounds

N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide
CID 109468079
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
2-cyclopropyl-N-pent-4-ynylpropanamide
CID 103721944
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
N-butyl-2-cyclopentylpropanamide
CID 173178636
N-(5-amino-5-sulfanylidenepentyl)-2-cyclopropylpropanamide
CID 83155013
2-cyclopropyl-N-[2-(propylamino)ethyl]propanamide
CID 115563513
3-(2-cyclopropylpropanoylamino)-2-hydroxypropanamide
CID 106164214
N-(2-amino-2-oxoethyl)-2-cyclopropylpropanamide
CID 79505889
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropylpropanamide
CID 83155195
2-(2-cyclopropylpropanoylamino)propanoic acid
CID 81456146

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 2-cyclopropyl-N-(3-hydroxypropyl)propanamide (CID 81449535) is 2-cyclopropyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 2-cyclopropyl-N-(3-hydroxypropyl)propanamide is CC(C(=O)NCCCO)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is KKWZVNADBINMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(8-3-4-8)9(12)10-5-2-6-11/h7-8,11H,2-6H2,1H3,(H,10,12).
What are the key properties of 2-cyclopropyl-N-(3-hydroxypropyl)propanamide?
2-cyclopropyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 171.24 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 81449535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).