2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide

C19H31BrN3O5P — CID 123596637

IUPAC2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide
SMILESCCCC(NC(=O)Nc1ccc(Br)cc1)C(=O)NCP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C19H31BrN3O5P/c1-6-7-17(23-19(25)22-16-10-8-15(20)9-11-16)18(24)21-12-29(26,27-13(2)3)28-14(4)5/h8-11,13-14,17H,6-7,12H2,1-5H3,(H,21,24)(H2,22,23,25)
InChIKeyOHDBESLRXKFIOM-UHFFFAOYSA-N
MW492.35 g/mol
LogP4.86
Rot. Bonds11

About 2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide

2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide (PubChem CID 123596637) has the molecular formula C19H31BrN3O5P and a molecular weight of 492.35 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide
PubChem CID123596637
Molecular FormulaC19H31BrN3O5P
Molecular Weight492.35 g/mol
Exact Mass491.12
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide
SMILESCCCC(NC(=O)Nc1ccc(Br)cc1)C(=O)NCP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C19H31BrN3O5P/c1-6-7-17(23-19(25)22-16-10-8-15(20)9-11-16)18(24)21-12-29(26,27-13(2)3)28-14(4)5/h8-11,13-14,17H,6-7,12H2,1-5H3,(H,21,24)(H2,22,23,25)
InChIKeyOHDBESLRXKFIOM-UHFFFAOYSA-N
XLogP4.86
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.35
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-bromophenyl)carbamoylamino]-N-(diethoxyphosphorylmethyl)pentanamide
CID 71811754
2-[(4-bromophenyl)carbamoylamino]-N-methylpentanamide
CID 90387021
[[2-[(4-bromophenyl)carbamoylamino]-4-methylpentanoyl]amino]methyl-propan-2-yloxyphosphinic acid
CID 123948358
bis[[[(2S)-2-[(4-bromophenyl)carbamoylamino]pentanoyl]amino]methoxy]-oxophosphanium
CID 90387201
(2S)-N-(1-amino-1-oxopentan-2-yl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide
CID 71525827
1-(4-bromophenyl)-3-[(4S)-5,8-dioxononan-4-yl]urea
CID 159464677
(2S)-2-[[2-[(4-bromophenyl)carbamoylamino]acetyl]amino]pentanoic acid
CID 126520434
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
(2S)-2-[(4-bromophenyl)carbamoylamino]-N-[2-(dimethylamino)-2-oxoethyl]-4-methylpentanamide
CID 71525640
(2R,5S)-5-[(4-bromophenyl)carbamoylamino]-2,7-dimethyl-4-oxooctanamide
CID 146969662
3-[[(2S,3S)-2-[(4-bromophenyl)carbamoylamino]-3-methylpentanoyl]amino]pentan-3-ylphosphonic acid
CID 71811753
(2R)-2-(phenylcarbamoylamino)-N-[(1S)-1-phenylethyl]pentanamide
CID 7218963

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide (CID 123596637) is 2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide is CCCC(NC(=O)Nc1ccc(Br)cc1)C(=O)NCP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide?
The InChIKey is OHDBESLRXKFIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31BrN3O5P/c1-6-7-17(23-19(25)22-16-10-8-15(20)9-11-16)18(24)21-12-29(26,27-13(2)3)28-14(4)5/h8-11,13-14,17H,6-7,12H2,1-5H3,(H,21,24)(H2,22,23,25).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide?
2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide has a molecular weight of 492.35 g/mol, XLogP of 4.86, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)carbamoylamino]-N-[di(propan-2-yloxy)phosphorylmethyl]pentanamide is sourced from PubChem (CID 123596637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).