propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate

C19H29ClN2O4 — CID 141411394

IUPACpropan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)C)C(=O)NC(C)COc1cccc(Cl)c1
InChIInChI=1S/C19H29ClN2O4/c1-12(2)9-17(22-19(24)26-13(3)4)18(23)21-14(5)11-25-16-8-6-7-15(20)10-16/h6-8,10,12-14,17H,9,11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyDMEQSMGLZFMAPP-UHFFFAOYSA-N
MW384.90 g/mol
LogP3.77
Rot. Bonds9

About propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate

propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 141411394) has the molecular formula C19H29ClN2O4 and a molecular weight of 384.90 g/mol. Its IUPAC name is propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID141411394
Molecular FormulaC19H29ClN2O4
Molecular Weight384.90 g/mol
Exact Mass384.18
IUPAC Namepropan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)C)C(=O)NC(C)COc1cccc(Cl)c1
InChIInChI=1S/C19H29ClN2O4/c1-12(2)9-17(22-19(24)26-13(3)4)18(23)21-14(5)11-25-16-8-6-7-15(20)10-16/h6-8,10,12-14,17H,9,11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyDMEQSMGLZFMAPP-UHFFFAOYSA-N
XLogP3.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.90
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate
CID 141411386
propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 141411372
propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 141411377
1-(3-chlorophenoxy)-N-methylpropan-2-amine
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2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 43877185
2-(3-chlorophenoxy)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132652826
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride
CID 119735014
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
CID 120505567
2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 100767509
propan-2-yl N-[4-methyl-1-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]-1-oxopentan-2-yl]carbamate
CID 141407013
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 141411394) is propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)CC(NC(=O)OC(C)C)C(=O)NC(C)COc1cccc(Cl)c1.
What is the InChIKey of propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is DMEQSMGLZFMAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O4/c1-12(2)9-17(22-19(24)26-13(3)4)18(23)21-14(5)11-25-16-8-6-7-15(20)10-16/h6-8,10,12-14,17H,9,11H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate?
propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 384.90 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 141411394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).