2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide

C16H24N2O — CID 55152746

IUPAC2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide
SMILESCC(CCNC(=O)CNCC1CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(15-5-3-2-4-6-15)9-10-18-16(19)12-17-11-14-7-8-14/h2-6,13-14,17H,7-12H2,1H3,(H,18,19)
InChIKeyBFFKKAOLNIZIDS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.30
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide

2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide (PubChem CID 55152746) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide
PubChem CID55152746
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide
SMILESCC(CCNC(=O)CNCC1CC1)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-13(15-5-3-2-4-6-15)9-10-18-16(19)12-17-11-14-7-8-14/h2-6,13-14,17H,7-12H2,1H3,(H,18,19)
InChIKeyBFFKKAOLNIZIDS-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylbutyl)-2-(prop-2-ynylamino)acetamide
CID 79269795
2-(cyclopropylmethylamino)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 119716624
N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide
CID 79280576
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide
CID 95281062
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3S)-3-phenylbutyl]acetamide
CID 95281064
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-phenylethyl)acetamide;hydrochloride
CID 119676983
4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 79519273
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(3R)-3-phenylbutyl]acetamide
CID 52835383
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
CID 62986615
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
CID 119785804
N-[2-(benzenesulfonamido)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119704261

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide (CID 55152746) is 2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide is CC(CCNC(=O)CNCC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide?
The InChIKey is BFFKKAOLNIZIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(15-5-3-2-4-6-15)9-10-18-16(19)12-17-11-14-7-8-14/h2-6,13-14,17H,7-12H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide?
2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide is sourced from PubChem (CID 55152746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).