2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid

C16H22N2O3 — CID 43656684

IUPAC2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
SMILESCCc1ccc(NC(=O)CN(CC(=O)O)CC2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-12-5-7-14(8-6-12)17-15(19)10-18(11-16(20)21)9-13-3-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyREEMQPNKBUNQSX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.98
Rot. Bonds8

About 2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 43656684) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
PubChem CID43656684
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
SMILESCCc1ccc(NC(=O)CN(CC(=O)O)CC2CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-12-5-7-14(8-6-12)17-15(19)10-18(11-16(20)21)9-13-3-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyREEMQPNKBUNQSX-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
2-[cyclopropylmethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetic acid
CID 43656602
2-[acetyl(cyclopentyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159310
2-[acetyl(cyclohexyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159508
2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
CID 113166356
2-[butan-2-yl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid
CID 60833576
2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656616
2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 86946251
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656682
2-[butyl(ethyl)amino]-N-(4-ethylphenyl)acetamide
CID 55437047
2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 43656550
2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656888

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid (CID 43656684) is 2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid is CCc1ccc(NC(=O)CN(CC(=O)O)CC2CC2)cc1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is REEMQPNKBUNQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-5-7-14(8-6-12)17-15(19)10-18(11-16(20)21)9-13-3-4-13/h5-8,13H,2-4,9-11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(4-ethylanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43656684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).