2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide

C14H20N2O2 — CID 115454689

IUPAC2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
SMILESCC(NCC1(CO)CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(15-9-14(10-17)7-8-14)13(18)16-12-5-3-2-4-6-12/h2-6,11,15,17H,7-10H2,1H3,(H,16,18)
InChIKeyRGWZGWQJCCPULP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.38
Rot. Bonds6

About 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide

2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide (PubChem CID 115454689) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
PubChem CID115454689
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
SMILESCC(NCC1(CO)CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(15-9-14(10-17)7-8-14)13(18)16-12-5-3-2-4-6-12/h2-6,11,15,17H,7-10H2,1H3,(H,16,18)
InChIKeyRGWZGWQJCCPULP-UHFFFAOYSA-N
XLogP1.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide
CID 103734805
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
CID 113313239
2-(3-cyclopropylpropylamino)-N-phenylpropanamide
CID 115638960
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
2-(2-ethoxypropylamino)-N-phenylpropanamide
CID 115663967
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-phenylpropanamide
CID 66395417
2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
2-(octylamino)-N-phenylpropanamide
CID 78914372

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide (CID 115454689) is 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide is CC(NCC1(CO)CC1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide?
The InChIKey is RGWZGWQJCCPULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(15-9-14(10-17)7-8-14)13(18)16-12-5-3-2-4-6-12/h2-6,11,15,17H,7-10H2,1H3,(H,16,18).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide?
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide is sourced from PubChem (CID 115454689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).