N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

C17H26BrN3O — CID 51926082

IUPACN-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCC[C@H](NC(=O)CN1CCCN(C)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H26BrN3O/c1-3-16(14-5-7-15(18)8-6-14)19-17(22)13-21-10-4-9-20(2)11-12-21/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyBHGQUKWSUDVEEV-INIZCTEOSA-N
MW368.32 g/mol
LogP2.65
Rot. Bonds5

About N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide

N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (PubChem CID 51926082) has the molecular formula C17H26BrN3O and a molecular weight of 368.32 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
PubChem CID51926082
Molecular FormulaC17H26BrN3O
Molecular Weight368.32 g/mol
Exact Mass367.13
IUPAC NameN-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
SMILESCC[C@H](NC(=O)CN1CCCN(C)CC1)c1ccc(Br)cc1
InChIInChI=1S/C17H26BrN3O/c1-3-16(14-5-7-15(18)8-6-14)19-17(22)13-21-10-4-9-20(2)11-12-21/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyBHGQUKWSUDVEEV-INIZCTEOSA-N
XLogP2.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30736722
1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 9443034
2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 91765215
N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 51709582
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-[(S)-(3-hydroxycyclobutyl)-phenylmethyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 124860560
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
2-(4-methyl-1,4-diazepan-1-yl)-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]acetamide
CID 125160415
N-(4-fluorophenyl)-2-[4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719356
N-(4-fluorophenyl)-2-[4-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719352
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81359839

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide (CID 51926082) is N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is CC[C@H](NC(=O)CN1CCCN(C)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
The InChIKey is BHGQUKWSUDVEEV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26BrN3O/c1-3-16(14-5-7-15(18)8-6-14)19-17(22)13-21-10-4-9-20(2)11-12-21/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide?
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide has a molecular weight of 368.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 51926082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).