(2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C19H28N2O — CID 97088681

IUPAC(2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)[C@H](C1CC1)N(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28N2O/c1-13(20-19(22)18(21(2)3)15-9-10-15)16-11-8-14-6-4-5-7-17(14)12-16/h8,11-13,15,18H,4-7,9-10H2,1-3H3,(H,20,22)/t13-,18-/m0/s1
InChIKeyWSOBWNKYEJGMLB-UGSOOPFHSA-N
MW300.45 g/mol
LogP3.08
Rot. Bonds5

About (2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

(2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 97088681) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID97088681
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)[C@H](C1CC1)N(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28N2O/c1-13(20-19(22)18(21(2)3)15-9-10-15)16-11-8-14-6-4-5-7-17(14)12-16/h8,11-13,15,18H,4-7,9-10H2,1-3H3,(H,20,22)/t13-,18-/m0/s1
InChIKeyWSOBWNKYEJGMLB-UGSOOPFHSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexanecarboxamide
CID 127109666
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclopropanecarboxamide
CID 94487664
(2S)-2-pyrrol-1-yl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 97020916
3-(ethylamino)-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62851480
cis-(1R,2S)-2-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 31442780
(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide
CID 61180622
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 129365471
(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
CID 35367348
(2R)-2-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 124869578
(3R)-1-[(2R)-1-oxo-1-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propan-2-yl]pyrrolidine-3-carboxamide
CID 100837155

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of (2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 97088681) is (2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for (2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for (2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is C[C@H](NC(=O)[C@H](C1CC1)N(C)C)c1ccc2c(c1)CCCC2.
What is the InChIKey of (2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is WSOBWNKYEJGMLB-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H28N2O/c1-13(20-19(22)18(21(2)3)15-9-10-15)16-11-8-14-6-4-5-7-17(14)12-16/h8,11-13,15,18H,4-7,9-10H2,1-3H3,(H,20,22)/t13-,18-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
(2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 300.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 97088681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).