(2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide

C18H30N4O2 — CID 95326604

IUPAC(2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide
SMILESC[C@@H](NC(=O)NCCc1ccc(N(C)C)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H30N4O2/c1-13(16(23)21-18(2,3)4)20-17(24)19-12-11-14-7-9-15(10-8-14)22(5)6/h7-10,13H,11-12H2,1-6H3,(H,21,23)(H2,19,20,24)/t13-/m1/s1
InChIKeyWECMIKJXIRROAD-CYBMUJFWSA-N
MW334.46 g/mol
LogP1.90
Rot. Bonds6

About (2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide

(2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide (PubChem CID 95326604) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide
PubChem CID95326604
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide
SMILESC[C@@H](NC(=O)NCCc1ccc(N(C)C)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C18H30N4O2/c1-13(16(23)21-18(2,3)4)20-17(24)19-12-11-14-7-9-15(10-8-14)22(5)6/h7-10,13H,11-12H2,1-6H3,(H,21,23)(H2,19,20,24)/t13-/m1/s1
InChIKeyWECMIKJXIRROAD-CYBMUJFWSA-N
XLogP1.90
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505686
(2S)-N-ethyl-2-[2-(4-fluorophenyl)ethylcarbamoylamino]propanamide
CID 36505869
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080
2-(aminomethyl)-N-tert-butyl-3-[4-(dimethylamino)phenyl]propanamide
CID 62082409
N-tert-butyl-2-[(3,4-dimethoxyphenyl)methylcarbamoylamino]propanamide
CID 47075828
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51084705
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 18164478
N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 51108522
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438588
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104180
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307160
1-tert-butyl-3-[2-(4-methylsulfanylphenyl)ethyl]urea
CID 110776093

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide (CID 95326604) is (2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide is C[C@@H](NC(=O)NCCc1ccc(N(C)C)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide?
The InChIKey is WECMIKJXIRROAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(16(23)21-18(2,3)4)20-17(24)19-12-11-14-7-9-15(10-8-14)22(5)6/h7-10,13H,11-12H2,1-6H3,(H,21,23)(H2,19,20,24)/t13-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide?
(2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide has a molecular weight of 334.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide is sourced from PubChem (CID 95326604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).