(2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide

C18H29N3O3 — CID 94962174

IUPAC(2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(COC(C)C)c1
InChIInChI=1S/C18H29N3O3/c1-6-13(4)19-17(22)14(5)20-18(23)21-16-9-7-8-15(10-16)11-24-12(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,19,22)(H2,20,21,23)/t13-,14-/m1/s1
InChIKeyKIQIVMVCLFQVGD-ZIAGYGMSSA-N
MW335.45 g/mol
LogP3.04
Rot. Bonds8

About (2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide

(2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide (PubChem CID 94962174) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide
PubChem CID94962174
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(COC(C)C)c1
InChIInChI=1S/C18H29N3O3/c1-6-13(4)19-17(22)14(5)20-18(23)21-16-9-7-8-15(10-16)11-24-12(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,19,22)(H2,20,21,23)/t13-,14-/m1/s1
InChIKeyKIQIVMVCLFQVGD-ZIAGYGMSSA-N
XLogP3.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
CID 119753959
3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide
CID 95239252
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
CID 47202792
(2S)-2-amino-4-methylsulfanyl-N-[3-(propan-2-yloxymethyl)phenyl]butanamide
CID 119306285
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
2-amino-2-phenyl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119306292
(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide?
The IUPAC name of (2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide (CID 94962174) is (2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide?
The canonical SMILES for (2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide is CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(COC(C)C)c1.
What is the InChIKey of (2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide?
The InChIKey is KIQIVMVCLFQVGD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-6-13(4)19-17(22)14(5)20-18(23)21-16-9-7-8-15(10-16)11-24-12(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,19,22)(H2,20,21,23)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide?
(2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide has a molecular weight of 335.45 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide is sourced from PubChem (CID 94962174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).