(2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide

C19H27N3O3 — CID 95156854

IUPAC(2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide
SMILESCC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]1CCC(C)(C)c2ccccc21
InChIInChI=1S/C19H27N3O3/c1-12(23)21-16(8-9-17(20)24)18(25)22-15-10-11-19(2,3)14-7-5-4-6-13(14)15/h4-7,15-16H,8-11H2,1-3H3,(H2,20,24)(H,21,23)(H,22,25)/t15-,16+/m0/s1
InChIKeyKRBIJJPDGRWNSY-JKSUJKDBSA-N
MW345.44 g/mol
LogP1.69
Rot. Bonds6

About (2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide

(2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide (PubChem CID 95156854) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide
PubChem CID95156854
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide
SMILESCC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]1CCC(C)(C)c2ccccc21
InChIInChI=1S/C19H27N3O3/c1-12(23)21-16(8-9-17(20)24)18(25)22-15-10-11-19(2,3)14-7-5-4-6-13(14)15/h4-7,15-16H,8-11H2,1-3H3,(H2,20,24)(H,21,23)(H,22,25)/t15-,16+/m0/s1
InChIKeyKRBIJJPDGRWNSY-JKSUJKDBSA-N
XLogP1.69
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide?
The IUPAC name of (2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide (CID 95156854) is (2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide.
What is the SMILES notation for (2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide?
The canonical SMILES for (2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide is CC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]1CCC(C)(C)c2ccccc21.
What is the InChIKey of (2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide?
The InChIKey is KRBIJJPDGRWNSY-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12(23)21-16(8-9-17(20)24)18(25)22-15-10-11-19(2,3)14-7-5-4-6-13(14)15/h4-7,15-16H,8-11H2,1-3H3,(H2,20,24)(H,21,23)(H,22,25)/t15-,16+/m0/s1.
What are the key properties of (2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide?
(2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide has a molecular weight of 345.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide is sourced from PubChem (CID 95156854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).