ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate

C17H26N2O4 — CID 42697968

IUPACethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate
SMILESCCOC(=O)CCN(C(=O)Nc1ccc(OC)cc1)C(C)CC
InChIInChI=1S/C17H26N2O4/c1-5-13(3)19(12-11-16(20)23-6-2)17(21)18-14-7-9-15(22-4)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)
InChIKeyBPUFMALDDQTSPU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.28
Rot. Bonds8

About ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate

ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate (PubChem CID 42697968) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate
PubChem CID42697968
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nameethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate
SMILESCCOC(=O)CCN(C(=O)Nc1ccc(OC)cc1)C(C)CC
InChIInChI=1S/C17H26N2O4/c1-5-13(3)19(12-11-16(20)23-6-2)17(21)18-14-7-9-15(22-4)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)
InChIKeyBPUFMALDDQTSPU-UHFFFAOYSA-N
XLogP3.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]acetate
CID 61021199
3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699212
1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea
CID 55151509
diethyl (3S)-3-[4-(4-methoxyanilino)-4-oxobutanoyl]-4-oxoheptanedioate
CID 124632181
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
ethyl 2-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 9445287
ethyl 3-[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]propanoate
CID 5040472
3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699211
3-(4-aminophenyl)-1-butan-2-yl-1-ethylurea
CID 43469114
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
N-benzyl-2-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3649783
methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
CID 60969496

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate?
The IUPAC name of ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate (CID 42697968) is ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate?
The canonical SMILES for ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate is CCOC(=O)CCN(C(=O)Nc1ccc(OC)cc1)C(C)CC.
What is the InChIKey of ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate?
The InChIKey is BPUFMALDDQTSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-13(3)19(12-11-16(20)23-6-2)17(21)18-14-7-9-15(22-4)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21).
What are the key properties of ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate?
ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate has a molecular weight of 322.41 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 42697968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).