(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide

C16H23N3O2 — CID 8859207

IUPAC(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
SMILESC[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)NC(N)=O
InChIInChI=1S/C16H23N3O2/c1-10(18-11(2)15(20)19-16(17)21)13-8-7-12-5-3-4-6-14(12)9-13/h7-11,18H,3-6H2,1-2H3,(H3,17,19,20,21)/t10-,11-/m0/s1
InChIKeyDEQRDYOVVWHOJT-QWRGUYRKSA-N
MW289.38 g/mol
LogP1.80
Rot. Bonds4

About (2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide

(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide (PubChem CID 8859207) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
PubChem CID8859207
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
SMILESC[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)NC(N)=O
InChIInChI=1S/C16H23N3O2/c1-10(18-11(2)15(20)19-16(17)21)13-8-7-12-5-3-4-6-14(12)9-13/h7-11,18H,3-6H2,1-2H3,(H3,17,19,20,21)/t10-,11-/m0/s1
InChIKeyDEQRDYOVVWHOJT-QWRGUYRKSA-N
XLogP1.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide with MolForge

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Related Compounds

(2R)-N-carbamoyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859233
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
CID 8859206
(2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8858993
N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
CID 47320879
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-carbamoylpropanamide
CID 81360131
2-methyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 61220351
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
CID 50973028
4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 78808360
1-cyclopentyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ethanamine
CID 63444402

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide (CID 8859207) is (2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide is C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)C(=O)NC(N)=O.
What is the InChIKey of (2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide?
The InChIKey is DEQRDYOVVWHOJT-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(18-11(2)15(20)19-16(17)21)13-8-7-12-5-3-4-6-14(12)9-13/h7-11,18H,3-6H2,1-2H3,(H3,17,19,20,21)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide?
(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide is sourced from PubChem (CID 8859207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).