(1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C19H28N4O2 — CID 129422413

IUPAC(1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)Nc1ccccc1CC(N)=O)CC2
InChIInChI=1S/C19H28N4O2/c1-13(2)23-15-7-8-16(23)12-22(10-9-15)19(25)21-17-6-4-3-5-14(17)11-18(20)24/h3-6,13,15-16H,7-12H2,1-2H3,(H2,20,24)(H,21,25)/t15-,16-/m0/s1
InChIKeyKMQWOSQIZUQWRA-HOTGVXAUSA-N
MW344.46 g/mol
LogP2.19
Rot. Bonds4

About (1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

(1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 129422413) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID129422413
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(C)N1[C@H]2CC[C@H]1CN(C(=O)Nc1ccccc1CC(N)=O)CC2
InChIInChI=1S/C19H28N4O2/c1-13(2)23-15-7-8-16(23)12-22(10-9-15)19(25)21-17-6-4-3-5-14(17)11-18(20)24/h3-6,13,15-16H,7-12H2,1-2H3,(H2,20,24)(H,21,25)/t15-,16-/m0/s1
InChIKeyKMQWOSQIZUQWRA-HOTGVXAUSA-N
XLogP2.19
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide 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

3-(3-cyclopropyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)pyrrolidine-1-carboxamide
CID 91914758
N-(1-methylsulfanylpropan-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71868197
4-[2-(2-amino-2-oxoethyl)anilino]piperidine-1-carboxamide
CID 43789647
(2R)-2-amino-1-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 120873000
N-(2-benzylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113013
2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682828
3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 71992527
N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 51080425
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 98346719
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
3,4-dimethyl-N-[2-(methylsulfinylmethyl)phenyl]piperidine-1-carboxamide
CID 75522977

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of (1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 129422413) is (1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for (1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CC(C)N1[C@H]2CC[C@H]1CN(C(=O)Nc1ccccc1CC(N)=O)CC2.
What is the InChIKey of (1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is KMQWOSQIZUQWRA-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)23-15-7-8-16(23)12-22(10-9-15)19(25)21-17-6-4-3-5-14(17)11-18(20)24/h3-6,13,15-16H,7-12H2,1-2H3,(H2,20,24)(H,21,25)/t15-,16-/m0/s1.
What are the key properties of (1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
(1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-N-[2-(2-amino-2-oxoethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 129422413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).