N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide

C14H23NO — CID 115761109

IUPACN-(cyclopropylmethyl)-N-prop-2-ynylheptanamide
SMILESC#CCN(CC1CC1)C(=O)CCCCCC
InChIInChI=1S/C14H23NO/c1-3-5-6-7-8-14(16)15(11-4-2)12-13-9-10-13/h2,13H,3,5-12H2,1H3
InChIKeyZABOGOLHRCCJHY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.83
Rot. Bonds8

About N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide

N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide (PubChem CID 115761109) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-prop-2-ynylheptanamide
PubChem CID115761109
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(cyclopropylmethyl)-N-prop-2-ynylheptanamide
SMILESC#CCN(CC1CC1)C(=O)CCCCCC
InChIInChI=1S/C14H23NO/c1-3-5-6-7-8-14(16)15(11-4-2)12-13-9-10-13/h2,13H,3,5-12H2,1H3
InChIKeyZABOGOLHRCCJHY-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-3,3-dimethyl-1-prop-2-ynylurea
CID 115549872
N-(cyclopropylmethyl)-N-ethyl-5-hydroxypentanamide
CID 79209482
7-amino-N-(cyclopropylmethyl)-N-ethylheptanamide;hydrochloride
CID 119784610
N-(cyclopropylmethyl)-2,2,3,3-tetramethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 115532543
4-amino-N-(cyclopropylmethyl)-3-methoxy-N-prop-2-ynylbutanamide
CID 103156476
2-[[cyclopropylmethyl(ethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284715
4-chloro-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63956164
3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide
CID 78970322
N-prop-2-ynoxy-N-prop-2-ynyldodecanamide
CID 13289990
N-(piperidin-3-ylmethyl)-N-propyloctanamide
CID 106628397
N,N-dioctyltetradecanamide
CID 169083302
N,N-dipropylnonadecanamide
CID 12960009

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide (CID 115761109) is N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide is C#CCN(CC1CC1)C(=O)CCCCCC.
What is the InChIKey of N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide?
The InChIKey is ZABOGOLHRCCJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-6-7-8-14(16)15(11-4-2)12-13-9-10-13/h2,13H,3,5-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide?
N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide has a molecular weight of 221.34 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-prop-2-ynylheptanamide is sourced from PubChem (CID 115761109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).