N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide

C17H26N4O3 — CID 94796277

IUPACN-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(N[C@H](C)C(=O)NC(=O)NCC)c1C
InChIInChI=1S/C17H26N4O3/c1-5-8-15(22)20-14-10-7-9-13(11(14)3)19-12(4)16(23)21-17(24)18-6-2/h7,9-10,12,19H,5-6,8H2,1-4H3,(H,20,22)(H2,18,21,23,24)/t12-/m1/s1
InChIKeyNFPRPQUWKUPIKF-GFCCVEGCSA-N
MW334.42 g/mol
LogP2.38
Rot. Bonds7

About N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide

N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide (PubChem CID 94796277) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide
PubChem CID94796277
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(N[C@H](C)C(=O)NC(=O)NCC)c1C
InChIInChI=1S/C17H26N4O3/c1-5-8-15(22)20-14-10-7-9-13(11(14)3)19-12(4)16(23)21-17(24)18-6-2/h7,9-10,12,19H,5-6,8H2,1-4H3,(H,20,22)(H2,18,21,23,24)/t12-/m1/s1
InChIKeyNFPRPQUWKUPIKF-GFCCVEGCSA-N
XLogP2.38
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]carbamate
CID 47068847
N-(ethylcarbamoyl)-2-(2-fluoroanilino)propanamide
CID 43083893
ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 94794030
2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide
CID 60679283
2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide
CID 103478867
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
CID 47065348
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
CID 119747442
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
N-[2-[3-(butanoylamino)-2-methylanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 47932061
2-(2,5-difluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 43083937
N-(2-methyl-3-sulfanylphenyl)pentanamide
CID 4713033

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide?
The IUPAC name of N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide (CID 94796277) is N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide.
What is the SMILES notation for N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide?
The canonical SMILES for N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide is CCCC(=O)Nc1cccc(N[C@H](C)C(=O)NC(=O)NCC)c1C.
What is the InChIKey of N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide?
The InChIKey is NFPRPQUWKUPIKF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-8-15(22)20-14-10-7-9-13(11(14)3)19-12(4)16(23)21-17(24)18-6-2/h7,9-10,12,19H,5-6,8H2,1-4H3,(H,20,22)(H2,18,21,23,24)/t12-/m1/s1.
What are the key properties of N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide?
N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide has a molecular weight of 334.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylphenyl]butanamide is sourced from PubChem (CID 94796277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).