3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide

C15H21N3O2 — CID 119785804

IUPAC3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
SMILESO=C(CNCC1CC1)NCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O2/c19-14(18-13-4-2-1-3-5-13)8-9-17-15(20)11-16-10-12-6-7-12/h1-5,12,16H,6-11H2,(H,17,20)(H,18,19)
InChIKeyTYQMAEZQIGBWJC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.13
Rot. Bonds8

About 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide

3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide (PubChem CID 119785804) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
PubChem CID119785804
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
SMILESO=C(CNCC1CC1)NCCC(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O2/c19-14(18-13-4-2-1-3-5-13)8-9-17-15(20)11-16-10-12-6-7-12/h1-5,12,16H,6-11H2,(H,17,20)(H,18,19)
InChIKeyTYQMAEZQIGBWJC-UHFFFAOYSA-N
XLogP1.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-phenylacetamide
CID 60753326
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
N-[4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]butanamide;hydrochloride
CID 119723609
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclopropylmethylamino)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 119767799
2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide
CID 55152746
2-[3-(cyclopropylmethoxy)propylamino]-N-phenylacetamide
CID 103603851
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119723904
3-acetamido-N-phenylpropanamide
CID 7946185
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
CID 110014616

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide?
The IUPAC name of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide (CID 119785804) is 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide?
The canonical SMILES for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide is O=C(CNCC1CC1)NCCC(=O)Nc1ccccc1.
What is the InChIKey of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide?
The InChIKey is TYQMAEZQIGBWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14(18-13-4-2-1-3-5-13)8-9-17-15(20)11-16-10-12-6-7-12/h1-5,12,16H,6-11H2,(H,17,20)(H,18,19).
What are the key properties of 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide?
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide is sourced from PubChem (CID 119785804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).